de060a56ad
Merge branch 'merge-pull-22' into lammps-icms
2015-12-11 07:35:04 -05:00
441eeca80b
Kokkos: put the LAMMPS specific settings into Makefile.kokkos
2015-12-10 15:23:52 -07:00
91a791bbb3
Snapshot of kokkos.git from commit 0a776f65e7429b875839719c4fe528c15e871e46
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From repository at git@github.com:/kokkos/kokkos.git
At commit:
commit 0a776f65e7429b875839719c4fe528c15e871e46
Author: crtrott <crtrott@sandia.gov>
Date: Thu Dec 10 11:51:50 2015 -0700
Adding CUDA 7.5 as secondary compiler to README
2015-12-10 11:52:34 -07:00
27b1219a65
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-11-25 09:09:32 -05:00
88f58beb97
Added latest changes from Albert Bartok
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14274 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-24 16:26:24 +00:00
f6c76f4623
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14265 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-11-18 18:23:45 +00:00
8689bf35f9
incorporate GPU package update from Trung
2015-11-16 11:21:16 -05:00
32e7f09dba
Update Eigen template library components to version 3.2.7
2015-11-16 11:04:09 -05:00
dd6c89640e
plug memory leak in otherwise currently unused code
2015-11-05 11:44:51 -05:00
ef44bbaf43
clean up a few small issues in lib/atc spotted by coverity
2015-10-28 17:33:41 -04:00
f634a5e140
remove executable flag from makefiles
2015-10-26 22:41:04 -04:00
449f373db5
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14165 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 22:08:30 +00:00
5e1998a1bd
record updated version number from colvars upstream repository
2015-10-22 16:54:51 -04:00
c6e41c4a32
remove REAX package and references to it in the documentation
2015-10-20 14:37:28 -04:00
8dc20218b0
adjust code in switch statement for enabling colvars similar to what is done for disabling
2015-10-13 19:13:12 -04:00
8cdb890b10
add argument checking and handle timerstep counters with 64-bit integers properly
2015-10-13 12:16:27 -04:00
52d245a964
update colvars library to version from 2015-09-29
2015-10-12 11:29:06 -04:00
97e6e67ca9
delete out-of-bounds label.
2015-10-08 18:50:27 -04:00
61649b57d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14075 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 22:52:20 +00:00
44c8bb9cbf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14060 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:23:56 +00:00
6f39a0a78d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14059 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:23:37 +00:00
2638309e59
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-09-24 08:23:47 -04:00
cb971f0166
Kokkos bugfix
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-23 18:10:39 +00:00
01bc05a7fc
import proposed GPU bugfix from trung.
2015-09-15 11:40:36 -04:00
942cce877b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14004 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-08 23:38:11 +00:00
acddfc7217
include sw/gpu bugfix from trung
2015-09-08 10:32:14 -04:00
c7303a1c1d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14001 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-08 14:13:03 +00:00
7a06a4dc9f
update colvars to version from Sept 3rd 2015
2015-09-03 13:33:28 -04:00
ae980d6fd1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13986 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-02 20:41:38 +00:00
e36993cc84
h5md library should be compiled with -fPIC by default
2015-09-01 11:00:22 -04:00
0f3d77ed75
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-28 23:35:43 +00:00
0391af7650
directory paths and install script were still broken for USER-H5MD
2015-08-28 15:06:07 -04:00
dc85234bf6
remove unneeded files from voro++ library
2015-08-26 00:24:58 -04:00
06f8fa153c
remove direct HDF5 API call from main code; redirect to wrapper library instead
2015-08-24 18:05:43 -04:00
d77b7c2b77
compile h5md library correctly
2015-08-24 16:03:05 -04:00
fd629d412d
step 1 on merging changes from ch5md to h5md
2015-08-24 15:49:27 -04:00
0fa1a952e0
rename h5md library path to which git seemed to have missed.
2015-08-24 15:45:25 -04:00
d287261e17
next attempt to fix the HDF5 compilation on Travis CI's ubuntu VMs.
2015-08-24 15:34:03 -04:00
591bb6f464
not all HDF5 calls are abstraced by wrapper library. need compatibility define in regular build, too.
2015-08-24 15:23:30 -04:00
54a14b07a3
change settings for H5MD support, so it compiles on ubuntu 12.04 LTS and add to CI
2015-08-24 15:06:45 -04:00
187e0b9ce4
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2015-08-21 06:48:52 -04:00
fec0587835
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13926 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-20 16:53:24 +00:00
3fcbe43295
Commented out line (temporarily) that causes a segmentation fault in the USER-AWPMD library
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13925 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-20 15:55:19 +00:00
e5f316ecf1
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
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# Conflicts:
# doc/Manual.html
# doc/Manual.txt
# doc/Section_start.txt
# doc/dump_h5md.html
# doc/dump_h5md.txt
# doc/package.txt
# src/COMPRESS/dump_atom_gz.cpp
# src/Makefile
# src/USER-H5MD/README
# src/pair.cpp
2015-08-20 07:42:31 -04:00
494ee3b26c
Updating Kokkos library--adding new folder
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13922 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 22:17:15 +00:00
e2ac7b2352
Updating Kokkos library--first deleting old folder
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13921 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 22:12:32 +00:00
e2f07a155c
MEAM library does not play well with clang. force using gcc
2015-08-19 17:24:57 -04:00
3e90c3eeab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:43:07 +00:00
185e746ccb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13908 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:19:08 +00:00
071ded95fc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-08-19 15:16:24 +00:00
